3-benzyl-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Formula:C35H30N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-benzyl-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is not a drug-like molecule.

MolName	3-benzyl-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C35H30N2O5
Smiles	OC(C(Cc1ccccc1)(C(C1C(N2C/C=C/c3ccccc3)=O)C2=O)NC1c(cc1)ccc1Oc1ccccc1)=O
InChI	InChI=1S/C35H30N2O5/c38-32-29-30(33(39)37(32)22-10-15-24-11-4-1-5-12-24)35(34(40)41,23-25-13-6-2-7-14-25)36-31(29)26-18-20-28(21-19-26)42-27-16-8-3-9-17-27/h1-21,29-31,36H,22-23H2,(H,40,41)
InChIK	HMHQXOMYSRBLBA-UHFFFAOYSA-N
TotalMolweight	558.632
Molweight	558.632
MonoisotopicMass	558.215473
CLogP	2.6189
CLogS	-6.436
H Acceptors	7
H Donors	2
TotalSurfaceArea	418.83
Relative PSA	0.18439
PolarSurfaceArea	95.94
Druglikeness	3.52
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47619
Fragments	1
Non HAtoms	42
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	4
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	9
Symmetricatoms	8
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 3-benzyl-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 3-benzyl-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

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